%chk=000214830.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000214830

0 1
Br -4.744278 3.907070 -0.565430
S -2.153220 -1.807559 0.738187
O -0.438198 -0.732534 -1.429293
O -2.539750 -2.790739 -0.233397
O -2.327212 -2.084687 2.152406
N 1.650622 -1.296038 -0.593198
N -0.420912 -1.585176 0.672482
C 3.195844 -0.002257 0.975238
C 4.116333 0.394006 -0.240847
C 2.992663 0.735502 -1.276791
C 2.135257 1.136424 0.997957
C 2.008694 1.616555 -0.465833
C 2.491389 -1.354682 0.638561
C 2.280800 -0.555317 -1.735140
C 3.930764 -0.145581 2.302160
C 5.065895 -0.716529 -0.700499
C 4.973060 1.637186 0.050703
C 0.244714 -1.145836 -0.494890
C -2.831020 -0.268271 0.372645
C -2.958545 0.154668 -0.954084
C -3.278205 0.547654 1.420584
C -3.530701 1.401352 -1.240709
C -3.849722 1.791836 1.147682
C -3.965797 2.200958 -0.185161
H 3.393610 1.269658 -2.158144
H 2.456799 1.958891 1.657136
H 1.170975 0.789969 1.398963
H 0.974813 1.520812 -0.839812
H 2.268996 2.682817 -0.560234
H 3.257483 -2.146477 0.462360
H 1.894376 -1.698438 1.508775
H 1.500969 -0.318603 -2.497971
H 2.995842 -1.256126 -2.219335
H 3.248179 -0.393139 3.122864
H 4.697737 -0.927356 2.258598
H 4.439521 0.785246 2.582101
H 4.551854 -1.660441 -0.916162
H 5.598272 -0.424905 -1.613077
H 5.822499 -0.929612 0.063043
H 4.383425 2.471783 0.442764
H 5.755111 1.419305 0.785826
H 5.471095 1.992666 -0.857975
H 0.143959 -1.925407 1.466478
H -2.598110 -0.480824 -1.778870
H -3.186756 0.207778 2.460563
H -3.625210 1.730478 -2.277044
H -4.199415 2.426820 1.962620


%chk=000214830-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000214830

0 1
Br -6.244611 3.126399 -0.474358
S -2.168052 -1.948098 0.568240
O -0.529888 -0.475038 -1.519288
O -2.300738 -3.010614 -0.640377
O -2.379279 -2.420864 2.111951
N 1.499677 -0.388255 -0.346423
N -0.467512 -1.244849 0.679209
C 3.517819 0.285175 1.043404
C 4.399805 0.193120 -0.266228
C 3.424965 0.920187 -1.256786
C 3.035204 1.774853 1.033661
C 2.977143 2.191642 -0.473049
C 2.271530 -0.642208 0.893438
C 2.206357 0.037484 -1.587439
C 4.237745 -0.103552 2.348737
C 4.775661 -1.248424 -0.688709
C 5.722197 0.995337 -0.133769
C 0.152163 -0.694648 -0.468144
C -3.278186 -0.460899 0.244198
C -3.494400 -0.046360 -1.078667
C -3.893789 0.117174 1.365204
C -4.386219 1.029718 -1.288086
C -4.781495 1.195076 1.147468
C -5.011295 1.634219 -0.174781
H 3.928948 1.170085 -2.209798
H 3.744089 2.407065 1.599031
H 2.051369 1.875326 1.526901
H 1.963400 2.507961 -0.775381
H 3.656610 3.037511 -0.678562
H 2.591722 -1.704816 0.950318
H 1.619059 -0.437513 1.763977
H 1.477639 0.591470 -2.202461
H 2.509891 -0.853329 -2.172900
H 3.563508 0.005609 3.219892
H 4.590880 -1.152121 2.328894
H 5.111666 0.546169 2.527964
H 3.905485 -1.911496 -0.827098
H 5.331521 -1.233457 -1.645360
H 5.435486 -1.715948 0.066338
H 5.565228 2.023481 0.234718
H 6.426808 0.493365 0.554063
H 6.217643 1.065092 -1.120732
H 0.028722 -1.659967 1.475724
H -2.971058 -0.528851 -1.907669
H -3.702483 -0.273768 2.369525
H -4.581909 1.390021 -2.301259
H -5.284528 1.674435 1.991267


